[Ala11,D-Leu15]-Orexin B acetate

Iupac Name

acetic acid--(S)-N1-((5S,8S,11S,14S,20S,23S,26S,29S,35S,38S,41S,44R,47S,50S,53S,56S,59S)-26-((1H-imidazol-5-yl)methyl)-14-((S)-sec-butyl)-50,59-bis(3-guanidinopropyl)-7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61-nonadecahydroxy-5-(hydroxy(imino)methyl)-29-(2-hydroxy-2-iminoethyl)-41,53-bis(3-hydroxy-3-iminopropyl)-8-((R)-1-hydroxyethyl)-35-(hydroxymethyl)-11,44,47-triisobutyl-20,23,38,56-tetramethyl-2-thia-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-nonadecaazadohexaconta-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-nonadecaen-62-yl)-2-(((S)-2-((2-((((S)-1-((2-(((S)-2-(((S)-2-amino-5-guanidino-1-hydroxypentylidene)amino)-1,3-dihydroxypropylidene)amino)acetyl)-L-prolyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-1-hydroxyethylidene)amino)-1-hydroxy-4-methylpentylidene)amino)pentanebis(imidic) acid (1/1)

Inchi Code

1S/C120H206N44O35S.C2H4O2/c1-17-60(10)93(115(197)158-77(44-59(8)9)113(195)162-94(65(15)167)116(198)150-68(95(126)177)34-40-200-16)161-91(175)51-137-96(178)61(11)143-97(179)62(12)146-108(190)78(45-66-47-133-55-142-66)157-112(194)79(46-87(125)171)149-89(173)49-139-102(184)80(53-165)159-99(181)64(14)145-105(187)72(29-32-85(123)169)154-110(192)75(42-57(4)5)156-111(193)76(43-58(6)7)155-106(188)70(25-20-37-136-120(131)132)152-107(189)73(30-33-86(124)170)151-98(180)63(13)144-104(186)69(24-19-36-135-119(129)130)147-88(172)48-138-101(183)71(28-31-84(122)168)153-109(191)74(41-56(2)3)148-90(174)50-140-114(196)82-26-21-39-164(82)117(199)83-27-22-38-163(83)92(176)52-141-103(185)81(54-166)160-100(182)67(121)23-18-35-134-118(127)128;1-2(3)4/h47,55-65,67-83,93-94,165-167H,17-46,48-54,121H2,1-16H3,(H2,122,168)(H2,123,169)(H2,124,170)(H2,125,171)(H2,126,177)(H,133,142)(H,137,178)(H,138,183)(H,139,184)(H,140,196)(H,141,185)(H,143,179)(H,144,186)(H,145,187)(H,146,190)(H,147,172)(H,148,174)(H,149,173)(H,150,198)(H,151,180)(H,152,189)(H,153,191)(H,154,192)(H,155,188)(H,156,193)(H,157,194)(H,158,197)(H,159,181)(H,160,182)(H,161,175)(H,162,195)(H4,127,128,134)(H4,129,130,135)(H4,131,132,136);1H3,(H,3,4)/t60-,61-,62-,63-,64-,65+,67-,68-,69-,70-,71-,72-,73-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,93-,94-;/m0./s1

InChI key

YZIAJNXATJJVEI-TUXBMQPLSA-N